SCHEMBL6606945

SCHEMBL6606945

CCCCOc1c(C(C)=O)cc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.61
PPARG P37231 14/20 0.61
RARG P13631 6/20 0.54
NR5A2 O00482 1/20 0.48
NR5A1 Q13285 1/20 0.48
RXRB P28702 4/20 0.43
RXRG P48443 4/20 0.43
RARA P10276 3/20 0.42
RARB P10826 3/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6605468 0.83 RXRA (0.68) RXRAPPARGRARGNR5A2NR5A1
SCHEMBL6603732 0.81 RXRA (0.63) RXRAPPARGRARGNR5A2NR5A1
SCHEMBL6606079 0.81 RXRA (0.63) RXRAPPARGRARGNR5A2NR5A1
SCHEMBL8000062 0.79 RXRA (0.46) RXRAPPARGRARG
SCHEMBL2772372 0.79 RXRA (0.56) RXRAPPARGRARGNR5A2NR5A1
SCHEMBL14594240 0.79 RXRA (0.47) RXRAPPARGRARGNR5A2NR5A1
SCHEMBL12646900 0.78 TSHR (0.44) RXRAPPARG
SCHEMBL4860379 0.78 RXRA (0.47) RXRAPPARGRARGNR5A2NR5A1
SCHEMBL726354 0.77 RXRA (1.00) RXRAPPARGRARGRXRBRXRG
SCHEMBL4138521 0.77 RXRA (1.00) RXRAPPARGRARGRXRBRXRG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161410-B1 RETINOID ANTAGONISTS AND USE THEREOF BASILEA PHARMACEUTICA AG (CH) 2004-05-12 EP disclosed
EP-1161410-A1 RETINOID ANTAGONISTS AND USE THEREOF Basilea Pharmaceutica AG (CH) 2001-12-12 EP disclosed
US-6326397-B1 OSTEOPOROSIS HOFFMAN-LA ROCHE INC. 2001-12-04 US disclosed
WO-2000053562-A1 RETINOID ANTAGONISTS AND USE THEREOF BASILEA PHARMACEUTICA AG (CH) 2000-09-14 WO disclosed